Vitas-M small molecule compound

2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

Catalog ID
STL342098
SMILES O=C(Nc1ccc2c(c1)OCCO2)CSc1nnc(n1N)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H16ClN5O3S MW 417.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN5O3S/c19-12-3-1-11(2-4-12)17-22-23-18(24(17)20)28-10-16(25)21-13-5-6-14-15(9-13)27-8-7-26-14/h1-6,9H,7-8,10,20H2,(H,21,25)
InChIKey
HRNKLRZPWSMBIH-UHFFFAOYSA-N
Synonyms
710987-99-8
2((4AMINO5(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)N(23DIHYDRO14BENZODIOXIN6YL)ACETAMIDE
2((4amino5(4chlorophenyl)4H124triazol3yl)sulfanyl)N(23dihydro14benzodioxin6yl)acetamide
2((4amino5(4chlorophenyl)4H124triazol3yl)thio)N(23dihydrobenzo(b)(14)dioxin6yl)acetamide
710987998
C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=C(C=C4)Cl
InChI=1SC18H16ClN5O3Sc19123111(2412)17222318(24(17)20)281016(25)2113561415(913)27872614h169H781020H2(H2125)
MFCD03955195
N(2H3HBENZO(34E)14DIOXIN6YL)2(4AMINO5(4CHLOROPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002395982
ZINC02395982
ZINC2395982

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Available files

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